[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol

C32H28F6N2O — CID 15452124

IUPAC[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(-c3ccccn3)cc2)CC1
InChIInChI=1S/C32H28F6N2O/c33-31(34,35)27-12-8-24(9-13-27)30(41,25-10-14-28(15-11-25)32(36,37)38)26-16-19-40(20-17-26)21-22-4-6-23(7-5-22)29-3-1-2-18-39-29/h1-15,18,26,41H,16-17,19-21H2
InChIKeyQBZLONOZPJUPBM-UHFFFAOYSA-N
MW570.58 g/mol
LogP7.93
Rot. Bonds6

About [1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol

[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol (PubChem CID 15452124) has the molecular formula C32H28F6N2O and a molecular weight of 570.58 g/mol. Its IUPAC name is [1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol
PubChem CID15452124
Molecular FormulaC32H28F6N2O
Molecular Weight570.58 g/mol
Exact Mass570.21
IUPAC Name[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(-c3ccccn3)cc2)CC1
InChIInChI=1S/C32H28F6N2O/c33-31(34,35)27-12-8-24(9-13-27)30(41,25-10-14-28(15-11-25)32(36,37)38)26-16-19-40(20-17-26)21-22-4-6-23(7-5-22)29-3-1-2-18-39-29/h1-15,18,26,41H,16-17,19-21H2
InChIKeyQBZLONOZPJUPBM-UHFFFAOYSA-N
XLogP7.93
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.58
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol (CID 15452124) is [1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(-c3ccccn3)cc2)CC1.
What is the InChIKey of [1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is QBZLONOZPJUPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F6N2O/c33-31(34,35)27-12-8-24(9-13-27)30(41,25-10-14-28(15-11-25)32(36,37)38)26-16-19-40(20-17-26)21-22-4-6-23(7-5-22)29-3-1-2-18-39-29/h1-15,18,26,41H,16-17,19-21H2.
What are the key properties of [1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol?
[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 570.58 g/mol, XLogP of 7.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 15452124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).